2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)

C24H26F6N4O5 — CID 154887681

IUPAC2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCc1nc2ccccn2c1CN1CCCC(OCc2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N4O.2C2HF3O2/c1-16-19(24-11-3-2-8-20(24)22-16)14-23-10-5-7-18(13-23)25-15-17-6-4-9-21-12-17;2*3-2(4,5)1(6)7/h2-4,6,8-9,11-12,18H,5,7,10,13-15H2,1H3;2*(H,6,7)
InChIKeyRVKCTMWAZAHRFT-UHFFFAOYSA-N
MW564.48 g/mol
LogP4.49
Rot. Bonds5

About 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)

2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154887681) has the molecular formula C24H26F6N4O5 and a molecular weight of 564.48 g/mol. Its IUPAC name is 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154887681
Molecular FormulaC24H26F6N4O5
Molecular Weight564.48 g/mol
Exact Mass564.18
IUPAC Name2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCc1nc2ccccn2c1CN1CCCC(OCc2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N4O.2C2HF3O2/c1-16-19(24-11-3-2-8-20(24)22-16)14-23-10-5-7-18(13-23)25-15-17-6-4-9-21-12-17;2*3-2(4,5)1(6)7/h2-4,6,8-9,11-12,18H,5,7,10,13-15H2,1H3;2*(H,6,7)
InChIKeyRVKCTMWAZAHRFT-UHFFFAOYSA-N
XLogP4.49
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 154887681) is 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) is Cc1nc2ccccn2c1CN1CCCC(OCc2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RVKCTMWAZAHRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.2C2HF3O2/c1-16-19(24-11-3-2-8-20(24)22-16)14-23-10-5-7-18(13-23)25-15-17-6-4-9-21-12-17;2*3-2(4,5)1(6)7/h2-4,6,8-9,11-12,18H,5,7,10,13-15H2,1H3;2*(H,6,7).
What are the key properties of 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 564.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154887681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).